4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide

C16H15BrN2O2 — CID 6062256

IUPAC4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O2/c1-11(12-5-9-15(21-2)10-6-12)18-19-16(20)13-3-7-14(17)8-4-13/h3-10H,1-2H3,(H,19,20)/b18-11-
InChIKeyPXMWCAMEZAQWOS-WQRHYEAKSA-N
MW347.21 g/mol
LogP3.61
Rot. Bonds4

About 4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide

4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide (PubChem CID 6062256) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
PubChem CID6062256
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O2/c1-11(12-5-9-15(21-2)10-6-12)18-19-16(20)13-3-7-14(17)8-4-13/h3-10H,1-2H3,(H,19,20)/b18-11-
InChIKeyPXMWCAMEZAQWOS-WQRHYEAKSA-N
XLogP3.61
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
CID 2288457
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4929974
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 41145274
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 5412321
N-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide (CID 6062256) is 4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide is COc1ccc(/C(C)=N\NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide?
The InChIKey is PXMWCAMEZAQWOS-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-11(12-5-9-15(21-2)10-6-12)18-19-16(20)13-3-7-14(17)8-4-13/h3-10H,1-2H3,(H,19,20)/b18-11-.
What are the key properties of 4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide?
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide has a molecular weight of 347.21 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 6062256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).